Virtual Techniques for Lead Optimisation
Cutting edge approaches to drug design

Authors: McLay, I. M.

Source: SPECIAL PUBLICATION- ROYAL SOCIETY OF CHEMISTRY. (NO 279):89-105

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Should medicinal chemists do molecular modelling?

Authors: Ritchie, T. J., McLay, I. M.

Source: DRUG DISCOVERY TODAY. 17(11-12):534-537

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Toward an ab initio fragment database for bioisosterism: Dependence of QCT properties on level of theory, conformation, and chemical environment

Authors: Devereux, M., Popelier, P. L., McLay, I. M.

Source: JOURNAL OF COMPUTATIONAL CHEMISTRY. 30(8):1300-1318

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Aryl aminopyrazole benzamides as oral non-steroidal selective glucocorticoid receptor agonists

Authors: Barnett, H. A., Coe, D. M., Cooper, T. W., Jack, T. I., Jones, H. T., Macdonald, S. J., McLay, I. M., Rayner, N., Sasse, R. Z., Shipley, T. J.

Source: BIOORGANIC AND MEDICINAL CHEMISTRY LETTERS. 19(1):158-162

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Knowledge-Based Interaction Fingerprint Scoring: A Simple Method for Improving the Effectiveness of Fast Scoring Functions

Authors: Mpamhanga, C. P., Chen, B., McLay, I. M., Willett, P.

Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING. 46(2):686-698

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Retrospective Docking Study of PDE4B Ligands and an Analysis of the Behavior of Selected Scoring Functions

Authors: Mpamhanga, C. P., Chen, B., McLay, I. M., Ormsby, D. L., Lindvall, M. K.

Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING. 45(4):1061-1074

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Drug Rings Database with Web Interface. A Tool for Identifying Alternative Chemical Rings in Lead Discovery Programs

Authors: Lewell, X. Q., Jones, A. C., Bruce, C. L., Harper, G., Jones, M. M., Mclay, I. M., Bradshaw, J.

Source: JOURNAL OF MEDICINAL CHEMISTRY. 46(15):3257-3274

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An Algorithm-Directed Two-Component Library Synthesized Via Solid-Phase Methodology Yielding Potent and Orally Bioavailable p38 MAP Kinase Inhibitors

Authors: McKenna, J. M., Halley, F., Souness, J. E., McLay, I. M., Pickett, S. D., Collis, A. J., Page, K., Ahmed, I.

Source: JOURNAL OF MEDICINAL CHEMISTRY. 45(11):2173-2184

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RPR203494 a pyrimidine analogue of the p38 inhibitor RPR200765A with an improved in vitro potency

Authors: Collis, A. J., Foster, M. L., Halley, F., Maslen, C., McLay, I. M., Page, K. M., Redford, E. J., Souness, J. E., Wilsher, N. E.

Source: BIOORGANIC AND MEDICINAL CHEMISTRY LETTERS. 11(5):693-696

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The discovery of RPR 200765A, a p38 MAP kinase inhibitor displaying a good oral anti-arthritic efficacy

Authors: McLay, I. M., Halley, F., Souness, J. E., McKenna, J., Benning, V., Birrell, M., Burton, B., Belvisi, M., Collis, A., Constan, A.

Source: BIOORGANIC AND MEDICINAL CHEMISTRY. 9(2):537-554

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Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries

Authors: Pickett, S. D., McLay, I. M., Clark, D. E.

Source: JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES. 40(2):263-272

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Selective ET~A Antagonists. 5. Discovery and Structure-Activity Relationships of Phenoxyphenylacetic Acid Derivatives

Authors: Astles, P. C., Brown, T. J., Halley, F., Handscombe, C. M., Harris, N. V., Majid, T. N., McCarthy, C., McLay, I. M., Morley, A., Porter, B.

Source: JOURNAL OF MEDICINAL CHEMISTRY. 43(5):900-910

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Selective Endothelin A Receptor Antagonists. 4. Discovery and Structure-Activity Relationships of Stilbene Acid and Alcohol Derivatives

Authors: Astles, P. C., Brown, T. J., Halley, F., Handscombe, C. M., Harris, N. V., McCarthy, C., McLay, I. M., Lockey, P., Majid, T., Porter, B.

Source: JOURNAL OF MEDICINAL CHEMISTRY. 41(15):2745-2753

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Selective Endothelin A Receptor Antagonists. 3. Discovery and Structure-Activity Relationships of a Series of 4-Phenoxybutanoic Acid Derivatives

Authors: Astles, P. C., Brealey, C., Brown, T. J., Facchini, V., Handscombe, C., Harris, N. V., McCarthy, C., McLay, I. M., Porter, B., Roach, A. G.

Source: JOURNAL OF MEDICINAL CHEMISTRY. 41(15):2732-2744

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Identification of a non peptidic rantes antagonist

Authors: Bright, C., Brown, T. J., Cox, P., Halley, F., Lockey, P., McLay, I. M., Moore, U., Porter, B., Williams, R. J.

Source: BIOORGANIC AND MEDICINAL CHEMISTRY LETTERS. 8(7):771-774

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Selective endothelin A receptor ligands. I. Discovery and structure-activity of 2,4-disubstituted benzoic acid derivatives

Authors: Astles, P. C., Brown, T. J., Handscombe, C. M., Harper, M. F., Harris, N. V., Lewis, R. A., Lockey, P. M., McCarthy, C., McLay, I. M., Porter, B.

Source: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY. 32(5):409-424

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New non peptidic C5a receptor antagonists

Authors: Astles, P. C., Brown, T. J., Cox, P., Halley, F., Lockey, P. M., McCarthy, C., McLay, I. M., Majid, T. N., Morley, A. D., Porter, B.

Source: BIOORGANIC AND MEDICINAL CHEMISTRY LETTERS. 7(7):907-912

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Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ)

Authors: Pickett, S. D., Mason, J. S., McLay, I. M.

Source: JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES. 36(6):1214-1223

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Applications of Computer-Aided Drug Design Techniques to Lead Generation
New perspectives in drug design

Authors: Mason, J. S., McLay, I. M., Lewis, R. A.

Source: :225-254

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MLR and PLS: A comparison of the techniques applied to the QSAR analysis of a series of structurally diverse biologically active compounds
Trends in QSAR and molecular modelling 92

Authors: McLay, I. M., Mason, J. S.

Source: :519-521

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